minimal environment

README.md

@@ -24,6 +24,10 @@ Installation of the dependencies via mamba (conda) using the provided environmen
 ```
 mamba env create -n tabs -f environment.yml
 ```
+If you are only interested in using the basic TABS and nTABS functionality, you can also use the minimal environment file:
+```
+mamba env create -n tabs -f minimalEnvironment.yml
+```
 To activate the new environment and install tabs:
 ```
 conda activate tabs
@@ -71,6 +75,9 @@ The complete datasets used in the study can be reproduced by going to Data/TABS
 # Analysis
 The analysis notebooks to reproduce the plots shown in the study can be found in Analysis/.
 
+# Thanks
+This program uses software written by other people. We thank all their authors for their contributions.
+
 # Authors 
 Jessica Braun ([@brje01](https://github.com/brje01)), Djahan Lamei ([@dlamei](https://github.com/dlamei)), Greg Landrum ([@greglandrum](https://github.com/greglandrum))
 

minimalEnvironment.yml

@@ -0,0 +1,10 @@
+name: tabs
+channels:
+  - conda-forge
+dependencies:
+  - rdkit
+  - scikit-learn
+  - jupyter
+  - ca-certificates
+  - certifi
+  - openssl